Compound Detail
CHEMBL323479
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL323479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNBVKQXDDAWGKI-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
5.95
ALogP
5
HBA
1
HBD
42.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.07 | 5.018 | 850.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 850.0 | nM | 6.07 | Inhibitory activity against induction of IL-1-beta release in PBMCs | 12852754 |
| MAP kinase p38 | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against TNF-alpha release in PBM cells | 12852754 |
| MAP kinase p38 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10... | 12852754 |
| MAP kinase p38 | IC50 | = | 18500.0 | nM | 4.73 | Inhibition of p38-related IL1-beta release by whole blood cells at 10 e-4 to 10 ... | 12852754 |
| MAP kinase p38 | IC50 | = | 19100.0 | nM | 4.72 | Inhibition of p38-related TNF-alpha release by whole blood cells at 10 e-4 to 10... | 12852754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852754 | 10.1021/jm030766k | MAP kinase p38 | 5 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 1A2 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 2C9 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 2C19 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 2D6 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine